1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[4-[4-(4-bromophenyl)-1-piperazinyl]phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[4-[4-(4-bromophenyl)piperazino]phenyl]-2-(4-quinolylthio)ethanone Formula: C27H24BrN3OS MolecularWeight: 518.46796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H24BrN3OS/c28-21-7-11-23(12-8-21)31-17-15-30(16-18-31)22-9-5-20(6-10-22)26(32)19-33-27-13-14-29-25-4-2-1-3-24(25)27/h1-14H,15-19H2